[1-(phenylsulfonyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(phenylsulfonyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-besyl-4-piperidyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S/c27-22(25-16-14-24(15-17-25)18-19-6-10-23-11-7-19)20-8-12-26(13-9-20)30(28,29)21-4-2-1-3-5-21/h1-7,10-11,20H,8-9,12-18H2/p+1